N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide

C9H10N6O — CID 666994

IUPACN-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide
SMILESCCn1nnc(NC(=O)c2cccnc2)n1
InChIInChI=1S/C9H10N6O/c1-2-15-13-9(12-14-15)11-8(16)7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H,11,13,16)
InChIKeyKZNQCOCSSRZQHW-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.34
Rot. Bonds3

About N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide

N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide (PubChem CID 666994) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide
PubChem CID666994
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC NameN-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide
SMILESCCn1nnc(NC(=O)c2cccnc2)n1
InChIInChI=1S/C9H10N6O/c1-2-15-13-9(12-14-15)11-8(16)7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H,11,13,16)
InChIKeyKZNQCOCSSRZQHW-UHFFFAOYSA-N
XLogP0.34
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide (CID 666994) is N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide is CCn1nnc(NC(=O)c2cccnc2)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is KZNQCOCSSRZQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c1-2-15-13-9(12-14-15)11-8(16)7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H,11,13,16).
What are the key properties of N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide?
N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 218.22 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 666994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).